SCHEMBL7377486

SCHEMBL7377486

CN(C)Cc1ccc2c(c1)ncn2-c1ccc2[nH]ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 9/20 0.67
GABRD O14764 9/20 0.67
GABRA1 P14867 9/20 0.67
GABRB1 P18505 9/20 0.67
GABRG2 P18507 9/20 0.67
GABRB3 P28472 9/20 0.67
GABRA5 P31644 9/20 0.67
GABRA3 P34903 9/20 0.67
GABRA2 P47869 9/20 0.67
GABRB2 P47870 9/20 0.67
GABRA4 P48169 9/20 0.67
GABRE P78334 9/20 0.67
GABRA6 Q16445 9/20 0.67
GABRG1 Q8N1C3 9/20 0.67
GABRG3 Q99928 9/20 0.67
GABRQ Q9UN88 9/20 0.67
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
KCNH2 Q12809 1/20 0.41
FGFR1 P11362 6/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7375733 0.87 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7369808 0.84 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7410806 0.82 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7378264 0.81 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7371338 0.80 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7375618 0.79 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7376726 0.78 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7374983 0.78 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23000896 0.76 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15902238 0.75 AHR (0.46) PRKCQPRKCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688809-A 5-heteroarylindole derivatives PFIZER INC. (US) 1997-11-18 US disclosed
EP-0743942-A1 5-HETEROARYLINDOLE DERIVATIVES AS BENZODIAZEPINE RECEPTOR SITE AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-11-27 EP disclosed
WO-1995021836-A1 5-HETEROARYLINDOLE DERIVATIVES AS BENZODIAZEPINE RECEPTOR SITE AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1995-08-17 WO disclosed